N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

C16H20N2O5S2 — CID 1166892

IUPACN-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H20N2O5S2/c19-24(20,17-13-14-5-4-12-23-14)15-6-8-16(9-7-15)25(21,22)18-10-2-1-3-11-18/h4-9,12,17H,1-3,10-11,13H2
InChIKeyATEUKZKUIZSWNZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.93
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 1166892) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID1166892
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC NameN-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H20N2O5S2/c19-24(20,17-13-14-5-4-12-23-14)15-6-8-16(9-7-15)25(21,22)18-10-2-1-3-11-18/h4-9,12,17H,1-3,10-11,13H2
InChIKeyATEUKZKUIZSWNZ-UHFFFAOYSA-N
XLogP1.93
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 1166892) is N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is ATEUKZKUIZSWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c19-24(20,17-13-14-5-4-12-23-14)15-6-8-16(9-7-15)25(21,22)18-10-2-1-3-11-18/h4-9,12,17H,1-3,10-11,13H2.
What are the key properties of N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 1166892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).